CID 36588

3,5-dichloroanisole

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
COC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
SSNXYMVLSOMJLU-UHFFFAOYSA-N
Compound name
1,3-dichloro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

770
Patents

175.97957 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 128.6
[M+Na]+ 198.96879 144.5
[M+NH4]+ 194.01339 138.9
[M+K]+ 214.94273 136.4
[M-H]- 174.97229 131.5
[M+Na-2H]- 196.95424 137.2
[M]+ 175.97902 132.4
[M]- 175.98012 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe